Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c308c015c5454309ac02fd2ac374f7fd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.603,
"b": 64.625,
"c": 74.361,
"alpha": 90.0,
"beta": 125.8,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.760,1.970],
"number_observations": 127781,
"number_observations_unique": 31343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 7596,
"number_observations_unique": 1954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "R(meas)",
"value": 0.651
},
{
"type": "R(pim)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.837
}
]
},
{
"resolution_limits": [34.760,9.030],
"number_observations": 1187,
"number_observations_unique": 325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}